#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e n SER 2 N 0.00 -6.27 -4.71 1.61 7.64 -1.26 -5.07 113.62 105.56 1x4e n SER 2 Ca 0.00 1.01 -0.24 0.00 1.01 0.00 0.00 58.87 60.65 1x4e n SER 2 Cb 0.00 -4.08 -0.07 0.00 -1.01 0.00 0.00 64.21 59.05 1x4e n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4e s SER 3 N -1.18 4.47 0.00 6.43 0.01 -1.26 -5.09 113.70 117.08 1x4e s SER 3 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1x4e s SER 3 Cb -0.00 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1x4e s SER 3 CO 0.56 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1x4e n GLY 4 N -1.15 3.67 3.60 3.44 0.00 -1.26 -5.18 105.19 108.30 1x4e n GLY 4 Ca -0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 1x4e n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4e s SER 5 N 0.00 -0.14 -0.01 1.61 1.04 -1.26 -5.04 113.70 109.90 1x4e s SER 5 Ca 0.00 -0.02 0.18 0.00 0.48 0.00 0.00 55.95 56.59 1x4e s SER 5 Cb 0.00 0.16 -0.24 0.00 0.10 0.00 0.00 66.02 66.04 1x4e s SER 5 CO 0.00 -0.27 0.60 -1.54 0.98 0.00 0.00 173.24 173.02 1x4e n SER 6 N -0.15 0.81 -4.74 7.02 3.41 -1.26 -4.20 113.62 114.51 1x4e n SER 6 Ca -0.01 -0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 57.68 1x4e n SER 6 Cb 0.59 1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 65.87 1x4e n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4e s GLY 7 N -3.34 3.03 0.10 5.00 0.00 -1.26 -1.27 107.32 109.59 1x4e s GLY 7 Ca 0.01 0.65 0.09 0.00 0.00 0.00 0.00 44.72 45.47 1x4e s GLY 7 CO 0.75 1.39 -0.23 1.08 0.00 0.00 0.00 173.10 176.09 1x4e s LEU 8 N -0.57 2.28 -0.31 0.66 1.43 0.14 -3.04 118.68 119.27 1x4e s LEU 8 Ca 0.45 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1x4e s LEU 8 Cb -0.26 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.01 1x4e s LEU 8 CO 0.32 0.13 0.06 -0.47 0.23 0.00 0.00 176.35 176.62 1x4e s TYR 9 N -1.05 2.69 -0.28 0.29 6.14 -0.33 -1.67 117.35 123.14 1x4e s TYR 9 Ca 0.10 -2.30 -0.10 0.00 0.64 0.00 0.00 57.07 55.41 1x4e s TYR 9 Cb -0.10 -2.24 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 1x4e s TYR 9 CO 0.04 -0.90 0.15 0.42 0.64 0.00 0.00 175.55 175.91 1x4e s ILE 10 N 1.28 4.90 0.45 3.14 1.09 -0.23 -1.29 121.20 130.53 1x4e s ILE 10 Ca 0.09 -0.06 0.04 0.00 -1.10 0.00 0.00 60.65 59.62 1x4e s ILE 10 Cb -0.18 -3.37 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 1x4e s ILE 10 CO -0.16 0.22 0.63 -0.13 -0.10 0.00 0.00 174.94 175.40 1x4e s ARG 11 N 1.69 2.84 -0.41 2.79 0.52 0.15 0.10 118.95 126.63 1x4e s ARG 11 Ca 0.06 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1x4e s ARG 11 Cb -0.16 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 1x4e s ARG 11 CO 0.08 -0.34 0.37 0.41 0.02 0.00 0.00 175.30 175.85 1x4e n GLY 12 N -1.99 -0.48 0.00 -3.53 0.00 0.35 -4.24 105.19 95.31 1x4e n GLY 12 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1x4e n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4e n LEU 13 N -1.74 0.00 -4.76 0.99 4.77 -0.86 -4.99 117.00 110.42 1x4e n LEU 13 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1x4e n LEU 13 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1x4e n LEU 13 CO 0.26 -0.04 -0.24 -1.10 -1.33 0.00 0.00 177.39 174.94 1x4e s GLN 14 N -0.60 2.71 0.00 3.23 -1.52 -1.26 -4.82 119.66 117.40 1x4e s GLN 14 Ca 0.00 -1.11 0.15 0.00 -1.95 0.00 0.00 55.36 52.45 1x4e s GLN 14 Cb 0.00 -2.46 0.71 0.00 -0.22 0.00 0.00 33.01 31.03 1x4e s GLN 14 CO 0.00 0.42 1.42 -0.35 -0.25 0.00 0.00 175.29 176.53 1x4e n PRO 15 N -0.81 0.15 -0.18 2.91 -0.04 -1.26 -2.13 135.00 133.63 1x4e n PRO 15 Ca -0.08 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1x4e n PRO 15 Cb 0.57 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.70 1x4e n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4e n GLY 16 N -0.03 2.23 3.59 0.55 0.00 -1.26 -4.46 105.19 105.82 1x4e n GLY 16 Ca 0.06 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1x4e n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4e s THR 17 N -1.02 3.24 0.55 2.61 2.01 -0.91 -4.97 115.64 117.15 1x4e s THR 17 Ca 0.26 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.57 1x4e s THR 17 Cb 0.14 -3.37 0.07 0.00 0.01 0.00 0.00 72.50 69.35 1x4e s THR 17 CO 0.19 -0.26 0.76 0.42 -0.69 0.00 0.00 174.62 175.04 1x4e s THR 18 N 8.20 2.38 0.18 -0.82 -4.23 -1.26 -4.92 115.64 115.16 1x4e s THR 18 Ca 0.88 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 1x4e s THR 18 Cb -0.25 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.28 1x4e s THR 18 CO 0.32 0.00 1.66 -2.24 -0.54 0.00 0.00 174.62 173.82 1x4e h ASP 19 N 0.22 -0.41 0.05 3.99 2.03 -1.93 -2.02 116.42 118.35 1x4e h ASP 19 Ca -0.33 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 1x4e h ASP 19 Cb 1.28 0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 40.05 1x4e h ASP 19 CO 0.42 -0.15 -0.06 1.56 -1.03 0.00 0.00 179.24 179.98 1x4e h GLN 20 N 0.00 -0.13 -1.01 4.15 7.50 -1.95 -2.31 115.11 121.36 1x4e h GLN 20 Ca 0.22 0.01 0.32 0.00 0.50 0.00 0.00 58.65 59.70 1x4e h GLN 20 Cb 0.33 0.03 -0.15 0.00 0.05 0.00 0.00 27.48 27.74 1x4e h GLN 20 CO -0.46 -0.09 0.58 -0.44 -1.50 0.00 0.00 178.83 176.92 1x4e h ASP 21 N -0.14 0.51 -0.31 1.46 5.19 -1.76 0.37 116.42 121.75 1x4e h ASP 21 Ca 0.01 0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 1x4e h ASP 21 Cb 0.14 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1x4e h ASP 21 CO -0.03 -0.13 0.02 -0.07 -3.12 0.00 0.00 179.24 175.91 1x4e h LEU 22 N 0.32 0.52 -0.69 1.55 3.38 -0.97 -2.71 115.31 116.72 1x4e h LEU 22 Ca 0.73 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 58.52 1x4e h LEU 22 Cb 1.70 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.24 1x4e h LEU 22 CO -0.59 0.68 0.31 0.58 0.09 0.00 0.00 178.44 179.51 1x4e h VAL 23 N 0.34 0.78 0.00 1.22 2.07 -0.03 0.24 116.25 120.88 1x4e h VAL 23 Ca 0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1x4e h VAL 23 Cb 0.40 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1x4e h VAL 23 CO 0.01 0.09 0.00 0.11 0.02 0.00 0.00 177.57 177.81 1x4e h LYS 24 N 0.51 0.00 -0.93 1.57 6.56 -1.29 0.48 116.57 123.47 1x4e h LYS 24 Ca 0.35 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.93 1x4e h LYS 24 Cb 0.43 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.05 1x4e h LYS 24 CO -0.31 0.00 0.54 1.25 -2.06 0.00 0.00 179.45 178.87 1x4e h LEU 25 N 0.00 1.13 -3.28 2.94 5.85 -0.18 -3.31 115.31 118.47 1x4e h LEU 25 Ca 0.00 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 1x4e h LEU 25 Cb 0.40 -0.29 -0.37 0.00 0.37 0.00 0.00 40.66 40.77 1x4e h LEU 25 CO 0.00 0.89 -1.00 0.00 -0.34 0.00 0.00 178.44 177.99 1x4e h GLN 27 N 1.16 -0.85 0.00 0.00 4.15 -0.13 -2.88 115.11 116.56 1x4e h GLN 27 Ca -0.24 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1x4e h GLN 27 Cb 1.78 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.67 1x4e h GLN 27 CO 0.09 -0.53 0.00 -0.35 -1.93 0.00 0.00 178.83 176.11 1x4e n PRO 28 N -5.39 0.49 0.05 -2.39 -0.04 -1.26 -2.61 135.00 123.85 1x4e n PRO 28 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1x4e n PRO 28 Cb 0.37 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 1x4e n PRO 28 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1x4e h TYR 29 N 0.00 0.50 -0.03 0.54 -1.99 -1.87 -3.50 116.97 110.61 1x4e h TYR 29 Ca 0.00 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.37 1x4e h TYR 29 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1x4e h TYR 29 CO 0.00 1.48 0.00 0.41 -0.00 0.00 0.00 178.16 180.05 1x4e n GLY 30 N 1.75 1.22 3.55 3.88 0.00 -1.07 -4.93 105.19 109.59 1x4e n GLY 30 Ca -0.20 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1x4e n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4e s LYS 31 N 1.77 3.57 -0.32 1.61 2.20 -1.26 -4.76 119.74 122.54 1x4e s LYS 31 Ca 0.00 -0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 55.29 1x4e s LYS 31 Cb 0.00 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1x4e s LYS 31 CO 0.00 -0.69 0.26 0.42 -0.36 0.00 0.00 175.35 174.98 1x4e s ILE 32 N 2.44 5.26 -0.02 5.43 1.01 -1.26 -0.84 121.20 133.22 1x4e s ILE 32 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 1x4e s ILE 32 Cb -0.15 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1x4e s ILE 32 CO 0.14 0.07 0.70 0.58 0.00 0.00 0.00 174.94 176.43 1x4e h VAL 33 N 5.45 0.00 -2.24 2.92 2.07 -0.56 -3.46 116.25 120.43 1x4e h VAL 33 Ca -0.32 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1x4e h VAL 33 Cb 1.17 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.71 1x4e h VAL 33 CO 0.62 0.00 -0.02 -0.55 0.02 0.00 0.00 177.57 177.64 1x4e s SER 34 N -4.56 -0.69 0.03 0.57 0.15 -1.21 -5.04 113.70 102.94 1x4e s SER 34 Ca -0.08 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 1x4e s SER 34 Cb 0.01 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.52 1x4e s SER 34 CO 0.25 -0.22 0.20 0.42 1.20 0.00 0.00 173.24 175.09 1x4e s THR 35 N 0.68 5.41 -0.25 6.45 -4.23 -1.26 -2.31 115.64 120.12 1x4e s THR 35 Ca -0.03 -0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1x4e s THR 35 Cb -0.05 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1x4e s THR 35 CO -0.04 0.23 0.16 -0.75 -0.54 0.00 0.00 174.62 173.67 1x4e s LYS 36 N -2.23 0.18 -0.08 3.99 2.47 -0.42 -4.95 119.74 118.70 1x4e s LYS 36 Ca 0.31 -0.28 -0.29 0.00 -1.56 0.00 0.00 55.97 54.15 1x4e s LYS 36 Cb -0.13 -1.24 -0.02 0.00 -1.46 0.00 0.00 37.83 34.99 1x4e s LYS 36 CO 0.23 -0.90 0.97 0.00 0.16 0.00 0.00 175.35 175.82 1x4e s ALA 37 N 2.18 3.35 -0.12 3.13 0.00 -1.26 0.20 121.76 129.23 1x4e s ALA 37 Ca 0.07 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1x4e s ALA 37 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1x4e s ALA 37 CO -0.27 -0.49 1.25 0.42 0.00 0.00 0.00 175.76 176.67 1x4e s ILE 38 N 1.71 4.24 0.04 0.00 -1.09 -0.91 -4.91 121.20 120.28 1x4e s ILE 38 Ca 0.48 1.52 0.07 0.00 -2.23 0.00 0.00 60.65 60.49 1x4e s ILE 38 Cb -0.19 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1x4e s ILE 38 CO 0.20 -0.08 -0.20 -0.76 -1.23 0.00 0.00 174.94 172.87 1x4e s LEU 39 N 3.02 2.16 1.02 2.97 1.43 -1.26 -2.25 118.68 125.77 1x4e s LEU 39 Ca 0.56 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1x4e s LEU 39 Cb -0.23 -0.92 0.20 0.00 0.03 0.00 0.00 46.19 45.27 1x4e s LEU 39 CO 0.18 0.15 1.10 -0.62 0.23 0.00 0.00 176.35 177.38 1x4e s ASP 40 N -1.13 2.08 0.00 2.29 2.15 -1.26 -4.76 116.67 116.04 1x4e s ASP 40 Ca 0.07 1.94 0.21 0.00 0.43 0.00 0.00 52.55 55.20 1x4e s ASP 40 Cb -0.09 -2.48 -0.18 0.00 -0.30 0.00 0.00 42.92 39.88 1x4e s ASP 40 CO 0.02 -3.59 0.94 1.17 -0.17 0.00 0.00 175.17 173.53 1x4e n LYS 41 N -4.54 0.06 -0.09 4.34 0.00 -1.26 -2.07 118.16 114.61 1x4e n LYS 41 Ca 0.08 -0.05 -0.18 0.00 0.00 0.00 0.00 58.31 58.16 1x4e n LYS 41 Cb 0.53 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.93 1x4e n LYS 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1x4e n THR 42 N -1.43 1.57 -0.00 3.15 -1.04 -1.26 -4.72 114.28 110.55 1x4e n THR 42 Ca 0.04 -0.63 -0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1x4e n THR 42 Cb 0.34 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.43 1x4e n THR 42 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4e n THR 43 N -3.27 0.06 -3.57 12.58 -2.24 -1.26 -5.04 114.28 111.54 1x4e n THR 43 Ca -0.40 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 1x4e n THR 43 Cb 1.02 -0.97 0.07 0.00 -2.10 0.00 0.00 70.33 68.36 1x4e n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x4e n ASN 44 N -2.05 -3.58 -2.20 3.42 4.13 -0.88 -4.92 115.26 109.19 1x4e n ASN 44 Ca -0.02 -0.64 -0.26 0.00 1.68 0.00 0.00 54.58 55.34 1x4e n ASN 44 Cb 0.53 -4.83 0.02 0.00 -1.54 0.00 0.00 39.78 33.96 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1x4e n LYS 45 N -4.49 3.45 -2.74 3.52 2.85 -1.26 -4.75 118.16 114.74 1x4e n LYS 45 Ca -0.16 -4.14 -0.00 0.00 -1.05 0.00 0.00 58.31 52.95 1x4e n LYS 45 Cb 0.62 -2.27 -0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4e h LYS 47 N 3.14 0.00 0.00 0.00 1.57 -1.75 -3.42 116.57 116.11 1x4e h LYS 47 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x4e h LYS 47 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1x4e h LYS 47 CO 0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 1x4e n GLY 48 N -1.76 1.10 3.14 3.86 0.00 -1.26 -4.96 105.19 105.31 1x4e n GLY 48 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1x4e n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4e s TYR 49 N -1.10 0.77 -0.01 1.61 2.02 -1.26 0.13 117.35 119.50 1x4e s TYR 49 Ca 0.00 -0.98 -0.06 0.00 -0.37 0.00 0.00 57.07 55.66 1x4e s TYR 49 Cb 0.00 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1x4e s TYR 49 CO 0.00 -0.24 0.12 0.20 -1.57 0.00 0.00 175.55 174.06 1x4e s GLY 50 N -3.00 0.02 -0.01 0.71 0.00 0.11 -2.14 107.32 103.01 1x4e s GLY 50 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1x4e s GLY 50 CO -0.06 -0.13 -0.06 -0.12 0.00 0.00 0.00 173.10 172.73 1x4e s PHE 51 N -0.97 2.93 -0.17 1.90 5.36 0.13 -1.06 117.98 126.10 1x4e s PHE 51 Ca -0.11 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 55.82 1x4e s PHE 51 Cb -0.06 -1.64 0.07 0.00 -0.34 0.00 0.00 43.02 41.05 1x4e s PHE 51 CO 0.01 0.38 0.16 0.08 -1.46 0.00 0.00 175.22 174.39 1x4e s VAL 52 N -0.97 -0.22 -0.14 3.12 1.01 -0.67 -1.30 120.40 121.23 1x4e s VAL 52 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1x4e s VAL 52 Cb -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1x4e s VAL 52 CO 0.07 -0.17 0.16 -1.81 0.00 0.00 0.00 175.10 173.34 1x4e s ASP 53 N 2.25 6.36 0.33 3.32 1.01 -0.98 0.25 116.67 129.21 1x4e s ASP 53 Ca 0.04 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.82 1x4e s ASP 53 Cb -0.15 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1x4e s ASP 53 CO -0.10 0.33 0.13 -0.36 0.21 0.00 0.00 175.17 175.38 1x4e s PHE 54 N -0.58 2.72 -1.05 4.23 0.40 -0.39 0.12 117.98 123.42 1x4e s PHE 54 Ca 0.14 -0.36 0.19 0.00 -0.60 0.00 0.00 56.93 56.30 1x4e s PHE 54 Cb -0.12 -1.60 0.84 0.00 0.51 0.00 0.00 43.02 42.66 1x4e s PHE 54 CO 0.03 0.37 1.62 -0.40 0.70 0.00 0.00 175.22 177.53 1x4e n ASP 55 N -1.13 0.00 -3.59 1.36 5.75 -0.02 -4.58 116.55 114.34 1x4e n ASP 55 Ca -0.03 0.44 -0.16 0.00 -0.01 0.00 0.00 54.79 55.03 1x4e n ASP 55 Cb 0.61 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x4e s SER 56 N -2.95 -0.50 0.11 -1.12 0.01 -1.26 -5.06 113.70 102.94 1x4e s SER 56 Ca 0.10 0.43 -0.14 0.00 1.31 0.00 0.00 55.95 57.66 1x4e s SER 56 Cb 0.13 0.48 -0.07 0.00 0.21 0.00 0.00 66.02 66.76 1x4e s SER 56 CO 0.34 -0.61 1.44 1.55 0.41 0.00 0.00 173.24 176.38 1x4e h PRO 57 N 3.13 0.78 0.00 12.44 0.13 -1.87 -2.84 132.00 143.77 1x4e h PRO 57 Ca -0.29 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1x4e h PRO 57 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4e h PRO 57 CO 0.40 1.04 0.00 1.03 -0.23 0.00 0.00 178.00 180.23 1x4e h SER 58 N 0.55 0.00 0.07 1.44 0.87 -1.98 -2.32 113.55 112.19 1x4e h SER 58 Ca 0.05 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.35 1x4e h SER 58 Cb 0.88 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1x4e h SER 58 CO 0.08 0.00 -1.42 0.00 -0.53 0.00 0.00 176.83 174.96 1x4e h ALA 59 N 2.03 0.26 -0.64 6.23 0.00 -1.86 -3.37 119.26 121.90 1x4e h ALA 59 Ca 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 54.91 53.79 1x4e h ALA 59 Cb 0.07 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1x4e h ALA 59 CO 0.00 0.85 0.36 0.00 0.00 0.00 0.00 179.25 180.46 1x4e h ALA 60 N -0.18 0.85 -0.86 0.00 0.00 -1.22 -2.09 119.26 115.75 1x4e h ALA 60 Ca -0.33 0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.79 1x4e h ALA 60 Cb 1.62 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1x4e h ALA 60 CO -0.03 0.04 0.36 1.96 0.00 0.00 0.00 179.25 181.57 1x4e h GLN 61 N 0.67 0.39 -0.93 0.00 4.20 -1.64 0.65 115.11 118.45 1x4e h GLN 61 Ca 0.28 -0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.24 1x4e h GLN 61 Cb 0.16 -0.09 -0.15 0.00 0.30 0.00 0.00 27.48 27.70 1x4e h GLN 61 CO -0.17 0.26 0.34 -0.22 -0.67 0.00 0.00 178.83 178.36 1x4e h LYS 62 N 0.40 0.22 0.44 1.46 3.64 -1.53 0.12 116.57 121.32 1x4e h LYS 62 Ca 0.52 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1x4e h LYS 62 Cb 0.96 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1x4e h LYS 62 CO -0.51 0.15 -0.21 0.00 -2.27 0.00 0.00 179.45 176.60 1x4e h ALA 63 N 1.82 -0.82 -0.92 5.00 0.00 -0.98 -2.66 119.26 120.70 1x4e h ALA 63 Ca 0.62 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.64 1x4e h ALA 63 Cb 1.33 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 19.18 1x4e h ALA 63 CO -0.66 -0.78 0.03 0.28 0.00 0.00 0.00 179.25 178.12 1x4e h VAL 64 N -0.81 0.13 -0.10 0.00 2.07 -1.25 0.91 116.25 117.20 1x4e h VAL 64 Ca -0.06 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1x4e h VAL 64 Cb 0.45 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1x4e h VAL 64 CO 0.10 0.01 -0.08 0.74 0.02 0.00 0.00 177.57 178.36 1x4e h THR 65 N 0.05 0.77 0.16 2.57 2.02 -1.03 -1.71 112.91 115.75 1x4e h THR 65 Ca 0.54 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.71 1x4e h THR 65 Cb 1.06 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1x4e h THR 65 CO -0.84 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 174.98 1x4e h ALA 66 N 0.99 -0.37 -0.72 6.16 0.00 -0.23 -3.27 119.26 121.83 1x4e h ALA 66 Ca 0.06 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1x4e h ALA 66 Cb 0.18 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 1x4e h ALA 66 CO -0.15 -0.35 -0.19 1.28 0.00 0.00 0.00 179.25 179.84 1x4e n LEU 67 N -3.52 -0.28 -0.19 0.00 4.77 0.28 0.18 117.00 118.24 1x4e n LEU 67 Ca -0.03 1.24 -0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1x4e n LEU 67 Cb 0.08 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1x4e n LEU 67 CO 0.06 -1.18 0.83 0.11 -1.33 0.00 0.00 177.39 175.88 1x4e h LYS 68 N 0.00 0.11 0.00 3.23 1.57 -1.42 0.27 116.57 120.33 1x4e h LYS 68 Ca 0.33 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1x4e h LYS 68 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1x4e h LYS 68 CO -0.74 0.07 -0.22 0.00 -0.57 0.00 0.00 179.45 177.99 1x4e h ALA 69 N 1.53 1.40 -0.04 3.86 0.00 0.18 -2.36 119.26 123.82 1x4e h ALA 69 Ca 0.30 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1x4e h ALA 69 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x4e h ALA 69 CO -0.50 0.27 -0.35 1.03 0.00 0.00 0.00 179.25 179.70 1x4e h SER 70 N 0.00 0.08 0.00 0.00 0.87 0.66 -3.46 113.55 111.70 1x4e h SER 70 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x4e h SER 70 Cb 0.46 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1x4e h SER 70 CO 0.03 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1x4e n GLY 71 N -0.46 1.66 3.37 5.77 0.00 -0.83 -5.10 105.19 109.61 1x4e n GLY 71 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1x4e n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4e s VAL 72 N -2.00 2.53 -0.64 1.61 0.11 -1.13 -5.05 120.40 115.82 1x4e s VAL 72 Ca 0.00 -0.92 -0.26 0.00 -2.93 0.00 0.00 61.98 57.87 1x4e s VAL 72 Cb 0.00 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 1x4e s VAL 72 CO 0.00 0.58 1.80 -1.10 -3.33 0.00 0.00 175.10 173.05 1x4e s GLN 73 N -0.52 2.69 -0.18 1.54 -0.21 -1.26 -3.94 119.66 117.79 1x4e s GLN 73 Ca 0.07 0.47 0.01 0.00 0.02 0.00 0.00 55.36 55.93 1x4e s GLN 73 Cb -0.11 -4.39 0.03 0.00 1.00 0.00 0.00 33.01 29.53 1x4e s GLN 73 CO 0.01 -2.69 -0.17 0.00 -2.12 0.00 0.00 175.29 170.32 1x4e s ALA 74 N 8.73 2.20 0.45 6.09 0.00 -1.26 -0.67 121.76 137.30 1x4e s ALA 74 Ca 0.64 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1x4e s ALA 74 Cb -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1x4e s ALA 74 CO 0.19 -0.49 0.13 -0.65 0.00 0.00 0.00 175.76 174.94 1x4e s GLN 75 N 1.33 2.16 -0.31 0.00 -1.52 -0.41 -4.83 119.66 116.07 1x4e s GLN 75 Ca 0.03 -2.05 -0.02 0.00 -1.95 0.00 0.00 55.36 51.37 1x4e s GLN 75 Cb -0.14 -1.82 0.14 0.00 -0.22 0.00 0.00 33.01 30.97 1x4e s GLN 75 CO -0.11 -0.21 2.27 -1.33 -0.25 0.00 0.00 175.29 175.66 1x4e n MET 76 N -1.24 1.89 -3.16 2.91 2.81 -1.26 -1.18 117.12 117.89 1x4e n MET 76 Ca -0.06 -1.60 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 1x4e n MET 76 Cb 0.66 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1x4e n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x4e n ALA 77 N 0.66 -1.78 -0.10 3.04 0.00 -1.17 -4.78 120.51 116.38 1x4e n ALA 77 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 1x4e n ALA 77 Cb 0.58 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 1x4e n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x4e n LYS 78 N 1.56 0.74 -3.30 0.00 2.85 -1.26 -4.79 118.16 113.96 1x4e n LYS 78 Ca 0.00 0.09 -0.47 0.00 -1.05 0.00 0.00 58.31 56.88 1x4e n LYS 78 Cb 0.39 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 33.31 1x4e n LYS 78 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x4e s GLN 79 N -2.44 3.65 -0.01 -1.58 1.11 -1.26 -4.73 119.66 114.40 1x4e s GLN 79 Ca -0.24 -2.46 -0.00 0.00 0.01 0.00 0.00 55.36 52.67 1x4e s GLN 79 Cb 0.07 -4.47 -0.00 0.00 -1.01 0.00 0.00 33.01 27.59 1x4e s GLN 79 CO 0.57 -1.32 -0.01 0.43 0.01 0.00 0.00 175.29 174.97 1x4e n SER 80 N 4.07 0.50 -4.89 5.90 7.64 -1.26 -5.06 113.62 120.52 1x4e n SER 80 Ca 0.15 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 1x4e n SER 80 Cb 0.47 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1x4e n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4e s GLY 81 N -4.90 2.24 0.27 0.23 0.00 -1.26 -5.01 107.32 98.89 1x4e s GLY 81 Ca -0.01 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1x4e s GLY 81 CO 0.01 -0.47 1.65 -0.56 0.00 0.00 0.00 173.10 173.73 1x4e h PRO 82 N 3.30 0.30 -4.76 2.90 0.13 -2.00 -3.41 132.00 128.46 1x4e h PRO 82 Ca -0.47 -0.16 -0.68 0.00 -0.87 0.00 0.00 66.00 63.81 1x4e h PRO 82 Cb 1.18 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 1x4e h PRO 82 CO 0.71 0.70 -0.63 0.45 -0.23 0.00 0.00 178.00 179.00 1x4e s SER 83 N -6.88 5.14 -0.36 1.44 0.15 -1.26 -5.00 113.70 106.93 1x4e s SER 83 Ca -0.05 -0.88 -0.02 0.00 0.70 0.00 0.00 55.95 55.70 1x4e s SER 83 Cb 0.13 -1.86 0.18 0.00 -1.71 0.00 0.00 66.02 62.76 1x4e s SER 83 CO 0.79 -0.24 0.88 -0.55 1.20 0.00 0.00 173.24 175.32 1x4e s SER 84 N 1.45 -0.83 0.00 5.45 0.15 -1.26 -5.14 113.70 113.52 1x4e s SER 84 Ca 0.01 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1x4e s SER 84 Cb -0.18 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1x4e s SER 84 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.98